N-(cyclohexylmethyl)-4-methyl-N-pentanoylthiadiazole-5-carboxamide

C16H25N3O2S — CID 150726966

IUPACN-(cyclohexylmethyl)-4-methyl-N-pentanoylthiadiazole-5-carboxamide
SMILESCCCCC(=O)N(CC1CCCCC1)C(=O)c1snnc1C
InChIInChI=1S/C16H25N3O2S/c1-3-4-10-14(20)19(11-13-8-6-5-7-9-13)16(21)15-12(2)17-18-22-15/h13H,3-11H2,1-2H3
InChIKeyJRAKTHJWEXHNDV-UHFFFAOYSA-N
MW323.46 g/mol
LogP3.59
Rot. Bonds6

About N-(cyclohexylmethyl)-4-methyl-N-pentanoylthiadiazole-5-carboxamide

N-(cyclohexylmethyl)-4-methyl-N-pentanoylthiadiazole-5-carboxamide (PubChem CID 150726966) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-4-methyl-N-pentanoylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-4-methyl-N-pentanoylthiadiazole-5-carboxamide
PubChem CID150726966
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC NameN-(cyclohexylmethyl)-4-methyl-N-pentanoylthiadiazole-5-carboxamide
SMILESCCCCC(=O)N(CC1CCCCC1)C(=O)c1snnc1C
InChIInChI=1S/C16H25N3O2S/c1-3-4-10-14(20)19(11-13-8-6-5-7-9-13)16(21)15-12(2)17-18-22-15/h13H,3-11H2,1-2H3
InChIKeyJRAKTHJWEXHNDV-UHFFFAOYSA-N
XLogP3.59
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-4-methyl-N-pentanoylthiadiazole-5-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-4-methyl-N-pentanoylthiadiazole-5-carboxamide (CID 150726966) is N-(cyclohexylmethyl)-4-methyl-N-pentanoylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-4-methyl-N-pentanoylthiadiazole-5-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-4-methyl-N-pentanoylthiadiazole-5-carboxamide is CCCCC(=O)N(CC1CCCCC1)C(=O)c1snnc1C.
What is the InChIKey of N-(cyclohexylmethyl)-4-methyl-N-pentanoylthiadiazole-5-carboxamide?
The InChIKey is JRAKTHJWEXHNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-3-4-10-14(20)19(11-13-8-6-5-7-9-13)16(21)15-12(2)17-18-22-15/h13H,3-11H2,1-2H3.
What are the key properties of N-(cyclohexylmethyl)-4-methyl-N-pentanoylthiadiazole-5-carboxamide?
N-(cyclohexylmethyl)-4-methyl-N-pentanoylthiadiazole-5-carboxamide has a molecular weight of 323.46 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-4-methyl-N-pentanoylthiadiazole-5-carboxamide is sourced from PubChem (CID 150726966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).